CID 602308

3680-96-4

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

C1COCCN1C2=CC=C(O2)C=O

InChI

InChI=1S/C9H11NO3/c11-7-8-1-2-9(13-8)10-3-5-12-6-4-10/h1-2,7H,3-6H2

InChIKey

XPUSBRXFPCGEKP-UHFFFAOYSA-N

Compound name

5-morpholin-4-ylfuran-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 181.0739 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	182.08118	135.9
[M+Na]+	204.06312	142.8
[M-H]-	180.06662	142.1
[M+NH4]+	199.10772	153.3
[M+K]+	220.03706	143.7
[M+H-H2O]+	164.07116	129.3
[M+HCOO]-	226.07210	156.1
[M+CH3COO]-	240.08775	177.1
[M+Na-2H]-	202.04857	142.0
[M]+	181.07335	135.4
[M]-	181.07445	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe